(3R)-1-(4-chlorophenyl)carbonyl-3-(5-fluoranyl-2-nitro-phenoxy)azepan-2-one

Systemtic Name: (3R)-1-(4-chlorophenyl)carbonyl-3-(5-fluoranyl-2-nitro-phenoxy)azepan-2-one Openeye Name: (3R)-1-(4-chlorobenzoyl)-3-(5-fluoro-2-nitro-phenoxy)azepan-2-one CAS Name: (3R)-1-[(4-chlorophenyl)-oxomethyl]-3-(5-fluoro-2-nitrophenoxy)-2-azepanone IUPAC Name: (3R)-1-(4-chlorobenzoyl)-3-(5-fluoro-2-nitrophenoxy)azepan-2-one Traditional Name: (3R)-1-(4-chlorobenzoyl)-3-(5-fluoro-2-nitro-phenoxy)azepan-2-one Formula: C19H16ClFN2O5 MolecularWeight: 406.792143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC2=C(C=CC(=C2)F)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C(=O)[C@@H](C1)OC2=C(C=CC(=C2)F)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClFN2O5/c20-13-6-4-12(5-7-13)18(24)22-10-2-1-3-16(19(22)25)28-17-11-14(21)8-9-15(17)23(26)27/h4-9,11,16H,1-3,10H2/t16-/m1/s1